data_bli4-4-cor
_audit_creation_date               2024-01-14
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ? 
;
_chemical_formula_moiety           'Co O8 S2, C2 H7 N, C2 H8 N'
_chemical_formula_sum              'C4 H15 Co N2 O8 S2'
_chemical_formula_weight           342.23
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C16 H32 N3 O2 S2 Co2'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Co' 'Co' -2.3653 3.6143
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S' 'S' 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x, -y, -z'

_cell_length_a                     9.1050(13)
_cell_length_b                     9.1429(17)
_cell_length_c                     9.4395(17)
_cell_angle_alpha                  63.608(18)
_cell_angle_beta                   65.118(16)
_cell_angle_gamma                  89.965(14)
_cell_volume                       621.53(19)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      1623
_cell_measurement_temperature      120.00(10)
_cell_measurement_theta_max        75.2910
_cell_measurement_theta_min        5.5200
_exptl_absorpt_coefficient_mu      14.315
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.47301
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour              purple
_exptl_crystal_density_diffrn      1.829
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         needle
_exptl_crystal_F_000               352
_exptl_crystal_size_max            0.6
_exptl_crystal_size_mid            0.4
_exptl_crystal_size_min            0.2
_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents    0.0543
_diffrn_reflns_av_unetI/netI       0.0829
_diffrn_reflns_limit_h_max         9
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         11
_diffrn_reflns_limit_k_min         -10
_diffrn_reflns_limit_l_max         10
_diffrn_reflns_limit_l_min         -11
_diffrn_reflns_number              4920
_diffrn_reflns_theta_full          76.61
_diffrn_reflns_theta_max           76.61
_diffrn_reflns_theta_min           5.50
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        120.00(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   10.6501
_diffrn_detector_type              Atlas
_diffrn_measured_fraction_theta_full  0.967
_diffrn_measured_fraction_theta_max  0.967
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -46.00   21.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5000   37.0000  -30.0000 67

#__ type_ start__ end____ width___ exp.time_
  2 omega  -49.00    7.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5000   37.0000 -180.0000 56

#__ type_ start__ end____ width___ exp.time_
  3 omega   28.00   81.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.6838 -125.0000 -120.0000 53

#__ type_ start__ end____ width___ exp.time_
  4 omega   40.00   77.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -30.0000  -90.0000 37

#__ type_ start__ end____ width___ exp.time_
  5 omega   41.00   89.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -30.0000  -30.0000 48

#__ type_ start__ end____ width___ exp.time_
  6 omega   58.00   89.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -30.0000   30.0000 31

#__ type_ start__ end____ width___ exp.time_
  7 omega   44.00   97.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -45.0000  120.0000 53

#__ type_ start__ end____ width___ exp.time_
  8 omega   90.00  116.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -111.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
  9 omega  113.00  139.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -157.0000  -24.0000 26

#__ type_ start__ end____ width___ exp.time_
 10 omega   47.00  116.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -111.0000    0.0000 69

#__ type_ start__ end____ width___ exp.time_
 11 omega   44.00   81.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -157.0000  -24.0000 37

#__ type_ start__ end____ width___ exp.time_
 12 omega   37.00  136.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -77.0000    0.0000 99

#__ type_ start__ end____ width___ exp.time_
 13 omega   89.00  177.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   45.0000  150.0000 88

#__ type_ start__ end____ width___ exp.time_
 14 omega  124.00  178.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  111.0000    0.0000 54

#__ type_ start__ end____ width___ exp.time_
 15 omega  116.00  141.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  178.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
 16 omega   86.00  147.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  178.0000   30.0000 61

#__ type_ start__ end____ width___ exp.time_
 17 omega   90.00  178.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   45.0000   90.0000 88

#__ type_ start__ end____ width___ exp.time_
 18 omega   95.00  167.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   45.0000 -150.0000 72

#__ type_ start__ end____ width___ exp.time_
 19 omega   39.00  116.00   1.0000   16.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -111.0000 -180.0000 77

#__ type_ start__ end____ width___ exp.time_
 20 omega   28.00   95.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.6838 -125.0000   60.0000 67

#__ type_ start__ end____ width___ exp.time_
 21 omega -104.00  -78.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5000 -157.0000  -24.0000 26

#__ type_ start__ end____ width___ exp.time_
 22 omega -127.00    5.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.5000    0.0000  150.0000 132
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_UB_11        0.0485532000
_diffrn_orient_matrix_UB_12        0.1820653000
_diffrn_orient_matrix_UB_13        -0.0437139000
_diffrn_orient_matrix_UB_21        0.1817983000
_diffrn_orient_matrix_UB_22        0.0108350000
_diffrn_orient_matrix_UB_23        -0.1223468000
_diffrn_orient_matrix_UB_31        -0.0362148000
_diffrn_orient_matrix_UB_32        0.0639013000
_diffrn_orient_matrix_UB_33        -0.1602979000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'sealed X-ray tube'
_diffrn_source_type                'SuperNova (Cu) X-ray Source'
_reflns_number_gt                  1879
_reflns_number_total               2529
_reflns_odcompleteness_completeness  99.83
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       69.95
_reflns_threshold_expression       >2sigma(I)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           5.167
_refine_diff_density_min           -0.899
_refine_diff_density_rms           0.354
_refine_ls_extinction_coef         ?
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.346
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       158
_refine_ls_number_reflns           2529
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1383
_refine_ls_R_factor_gt             0.1195
_refine_ls_restrained_S_all        1.346
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.3356
_refine_ls_wR_factor_ref           0.3569
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H2(0.045) H1A(0.049) H1B(0.049) H2A(0.102) H2B(0.102) H2C(0.102)
 H1C(0.118) H1D(0.118) H1E(0.118) H3A(0.131) H3B(0.131) H3C(0.131) H4A(0.207)
 H4B(0.207) H4C(0.207)
 Fixed X: H2(0.7413) H1A(0.1454) H1B(0.2427) H2A(0.2561) H2B(0.3451)
 H2C(0.1664) H1C(0.0368) H1D(-0.0655) H1E(-0.0367) H3A(0.7962) H3B(0.6954)
 H3C(0.8642) H4A(0.5539) H4B(0.4825) H4C(0.4489)
 Fixed Y: H2(0.4732) H1A(-0.1856) H1B(-0.0432) H2A(0.1206) H2B(-0.0277) H2C(-
 0.042) H1C(0.0903) H1D(-0.0422) H1E(-0.094) H3A(0.2148) H3B(0.1563)
 H3C(0.2908) H4A(0.2807) H4B(0.4241) H4C(0.2468)
 Fixed Z: H2(0.0723) H1A(1.2729) H1B(1.0949) H2A(1.2175) H2B(1.2642)
 H2C(1.4051) H1C(1.1182) H1D(1.322) H1E(1.1764) H3A(0.1169) H3B(0.3219)
 H3C(0.2032) H4A(0.0907) H4B(0.126) H4C(0.2876)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       direct
_atom_sites_solution_secondary     difmap
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_calc_flag
  _atom_site_disorder_assembly
  _atom_site_disorder_group
  _atom_site_refinement_flags_posn
 Co1 Co 0.25503(17) 0.4874(2) 0.50324(18) 0.0297(5) Uani 1 d . . .
 S1 S -0.0793(3) 0.5681(3) 0.6852(3) 0.0312(7) Uani 1 d . . .
 S2 S 0.4140(3) 0.2638(4) 0.7028(3) 0.0405(8) Uani 1 d . . .
 O2 O -0.1274(9) 0.3869(9) 0.7724(9) 0.0324(15) Uani 1 d . . .
 O1 O 0.1047(8) 0.6289(9) 0.5681(9) 0.0305(15) Uani 1 d . . .
 O5 O 0.2721(9) 0.3484(12) 0.7284(10) 0.045(2) Uani 1 d . . .
 O7 O 0.5393(9) 0.3525(12) 0.7174(9) 0.046(2) Uani 1 d . . .
 O3 O -0.1557(9) 0.6449(9) 0.5657(11) 0.0359(16) Uani 1 d . . .
 O4 O -0.1281(13) 0.6287(11) 0.8129(11) 0.062(3) Uani 1 d . . .
 O6 O 0.3560(10) 0.0904(12) 0.8420(10) 0.049(2) Uani 1 d . . .
 N2 N 0.6780(11) 0.3811(11) 0.1672(12) 0.037(2) Uani 1 d . . .
 H2 H 0.7413 0.4732 0.0723 0.045 Uiso 1 d . . R
 O8 O 0.4839(12) 0.2833(15) 0.5248(11) 0.059(3) Uani 1 d . . .
 N1 N 0.1667(12) -0.0732(11) 1.2078(12) 0.041(2) Uani 1 d . . .
 H1A H 0.1454 -0.1856 1.2729 0.049 Uiso 1 calc . . R
 H1B H 0.2427 -0.0432 1.0949 0.049 Uiso 1 calc . . R
 C2 C 0.240(2) 0.0008(17) 1.280(2) 0.068(5) Uani 1 d . . .
 H2A H 0.2561 0.1206 1.2175 0.102 Uiso 1 calc . . GR
 H2B H 0.3451 -0.0277 1.2642 0.102 Uiso 1 calc . . GR
 H2C H 0.1664 -0.0420 1.4051 0.102 Uiso 1 calc . . GR
 C1 C 0.0117(19) -0.0256(19) 1.206(2) 0.078(6) Uani 1 d . . .
 H1C H 0.0368 0.0903 1.1182 0.118 Uiso 1 calc . . GR
 H1D H -0.0655 -0.0422 1.3220 0.118 Uiso 1 calc . . GR
 H1E H -0.0367 -0.0940 1.1764 0.118 Uiso 1 calc . . GR
 C3 C 0.766(3) 0.250(3) 0.205(3) 0.087(7) Uani 1 d . . .
 H3A H 0.7962 0.2148 0.1169 0.131 Uiso 1 calc . . GR
 H3B H 0.6954 0.1563 0.3219 0.131 Uiso 1 calc . . GR
 H3C H 0.8642 0.2908 0.2032 0.131 Uiso 1 calc . . GR
 C4 C 0.5284(19) 0.329(5) 0.168(2) 0.138(15) Uani 1 d . . .
 H4A H 0.5539 0.2807 0.0907 0.207 Uiso 1 calc . . GR
 H4B H 0.4825 0.4241 0.1260 0.207 Uiso 1 calc . . GR
 H4C H 0.4489 0.2468 0.2876 0.207 Uiso 1 calc . . GR


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Co1 O1 1.979(8) . ?
 Co1 O5 2.008(7) . ?
 Co1 O7 2.000(7) 2_666 ?
 Co1 O3 1.975(8) 2_566 ?
 S1 O2 1.448(7) . ?
 S1 O1 1.495(7) . ?
 S1 O3 1.485(9) . ?
 S1 O4 1.449(7) . ?
 S2 O5 1.493(9) . ?
 S2 O7 1.487(9) . ?
 S2 O6 1.444(9) . ?
 S2 O8 1.447(9) . ?
 O7 Co1 2.000(7) 2_666 ?
 O3 Co1 1.975(8) 2_566 ?
 N2 H2 0.8600 . ?
 N2 C3 1.438(17) . ?
 N2 C4 1.440(19) . ?
 N1 H1A 0.9000 . ?
 N1 H1B 0.9000 . ?
 N1 C2 1.468(19) . ?
 N1 C1 1.482(19) . ?
 C2 H2A 0.9600 . ?
 C2 H2B 0.9600 . ?
 C2 H2C 0.9600 . ?
 C1 H1C 0.9600 . ?
 C1 H1D 0.9600 . ?
 C1 H1E 0.9600 . ?
 C3 H3A 0.9600 . ?
 C3 H3B 0.9600 . ?
 C3 H3C 0.9600 . ?
 C4 H4A 0.9600 . ?
 C4 H4B 0.9600 . ?
 C4 H4C 0.9600 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 O1 Co1 O5 102.5(3) . . ?
 O1 Co1 O7 105.6(4) . 2_666 ?
 O7 Co1 O5 118.2(3) 2_666 . ?
 O3 Co1 O1 109.2(3) 2_566 . ?
 O3 Co1 O5 114.0(4) 2_566 . ?
 O3 Co1 O7 106.7(4) 2_566 2_666 ?
 O2 S1 O1 110.7(5) . . ?
 O2 S1 O3 109.9(4) . . ?
 O2 S1 O4 112.1(4) . . ?
 O3 S1 O1 106.3(4) . . ?
 O4 S1 O1 108.5(5) . . ?
 O4 S1 O3 109.1(6) . . ?
 O7 S2 O5 106.7(6) . . ?
 O6 S2 O5 109.3(5) . . ?
 O6 S2 O7 109.9(5) . . ?
 O6 S2 O8 113.0(7) . . ?
 O8 S2 O5 108.1(6) . . ?
 O8 S2 O7 109.7(5) . . ?
 S1 O1 Co1 124.3(4) . . ?
 S2 O5 Co1 113.9(5) . . ?
 S2 O7 Co1 120.0(5) . 2_666 ?
 S1 O3 Co1 121.6(4) . 2_566 ?
 C3 N2 H2 112.5 . . ?
 C3 N2 C4 112.6(19) . . ?
 C4 N2 H2 113.2 . . ?
 H1A N1 H1B 107.4 . . ?
 C2 N1 H1A 108.4 . . ?
 C2 N1 H1B 108.4 . . ?
 C2 N1 C1 115.6(13) . . ?
 C1 N1 H1A 108.4 . . ?
 C1 N1 H1B 108.4 . . ?
 N1 C2 H2A 109.5 . . ?
 N1 C2 H2B 109.5 . . ?
 N1 C2 H2C 109.5 . . ?
 H2A C2 H2B 109.5 . . ?
 H2A C2 H2C 109.5 . . ?
 H2B C2 H2C 109.5 . . ?
 N1 C1 H1C 109.5 . . ?
 N1 C1 H1D 109.5 . . ?
 N1 C1 H1E 109.5 . . ?
 H1C C1 H1D 109.5 . . ?
 H1C C1 H1E 109.5 . . ?
 H1D C1 H1E 109.5 . . ?
 N2 C3 H3A 109.5 . . ?
 N2 C3 H3B 109.5 . . ?
 N2 C3 H3C 109.5 . . ?
 H3A C3 H3B 109.5 . . ?
 H3A C3 H3C 109.5 . . ?
 H3B C3 H3C 109.5 . . ?
 N2 C4 H4A 109.5 . . ?
 N2 C4 H4B 109.5 . . ?
 N2 C4 H4C 109.5 . . ?
 H4A C4 H4B 109.5 . . ?
 H4A C4 H4C 109.5 . . ?
 H4B C4 H4C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 O2 S1 O1 Co1 11.4(6) . . . . ?
 O2 S1 O3 Co1 -14.5(6) . . . 2_566 ?
 O1 Co1 O5 S2 -163.9(5) . . . . ?
 O1 S1 O3 Co1 105.4(5) . . . 2_566 ?
 O5 Co1 O1 S1 -76.0(5) . . . . ?
 O5 S2 O7 Co1 -104.0(6) . . . 2_666 ?
 O7 Co1 O1 S1 159.6(5) 2_666 . . . ?
 O7 Co1 O5 S2 -48.3(8) 2_666 . . . ?
 O7 S2 O5 Co1 108.0(5) . . . . ?
 O3 Co1 O1 S1 45.3(5) 2_566 . . . ?
 O3 Co1 O5 S2 78.2(6) 2_566 . . . ?
 O3 S1 O1 Co1 -107.9(5) . . . . ?
 O4 S1 O1 Co1 134.9(6) . . . . ?
 O4 S1 O3 Co1 -137.8(5) . . . 2_566 ?
 O6 S2 O5 Co1 -133.2(6) . . . . ?
 O6 S2 O7 Co1 137.6(6) . . . 2_666 ?
 O8 S2 O5 Co1 -9.9(7) . . . . ?
 O8 S2 O7 Co1 12.8(9) . . . 2_666 ?

_olex2_submission_special_instructions  'No special instructions were received'
